Abemaciclib Impurity 36

CAT: 1299-RM-A305036-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305036-02Size:25 mg

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CAS Number

2124229-65-6

Synonyms

1-ethyl-4- (5- ((4-ethylpiperazin-1-yl) methyl) pyridin-2-yl) piperazine

Molecular Formula

C18H31N5

Molecular Weight

317.48

Target Alternative Name

Abemaciclib

Product Name Synonym

1-ethyl-4- (5- ((4-ethylpiperazin-1-yl) methyl) pyridin-2-yl) piperazine

Chemical Information

Abemaciclib Impurity 140

CAS Number	2124229-65-6
PubChem CID	155403164
IUPAC Name	1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
Molecular Formula	C18H31N5
Molecular Weight	317.5
XLogP	1.5
Topological Polar Surface Area	25.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	334

SMILES

CCN1CCN(CC1)CC2=CN=C(C=C2)N3CCN(CC3)CC

InChI

InChI=1S/C18H31N5/c1-3-20-7-9-22(10-8-20)16-17-5-6-18(19-15-17)23-13-11-21(4-2)12-14-23/h5-6,15H,3-4,7-14,16H2,1-2H3

InChIKey

DIYGNDINCDXCGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2124229-65-6

CID: 155403164

Formula: C18H31N5

MW: 317.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.5
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	317.25794601
Monoisotopic Mass	317.25794601
Topological Polar Surface Area	25.9 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes